2-methyl-2-[[2-[pentyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[[2-[pentyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]propanoic acid Openeye Name: 2-methyl-2-[2-[pentyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]indan-5-yl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]-pentylamino]-2,3-dihydro-1H-inden-5-yl]thio]propanoic acid IUPAC Name: 2-methyl-2-[[2-[pentyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]propanoic acid Traditional Name: 2-[[2-[amyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C26H31F3N2O3S MolecularWeight: 508.59615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H31F3N2O3S/c1-4-5-6-13-31(24(34)30-20-10-8-19(9-11-20)26(27,28)29)21-14-17-7-12-22(16-18(17)15-21)35-25(2,3)23(32)33/h7-12,16,21H,4-6,13-15H2,1-3H3,(H,30,34)(H,32,33)